Function reference • chromatographR

All functions

Sa: HPLC-DAD data of goldenrod root extracts.

Sa_pr: HPLC-DAD data of goldenrod root extracts.

Sa_warp: HPLC-DAD data of goldenrod root extracts.

attach_metadata(): Attach experimental metadata

attach_ref_spectra(): Attach reference spectra

boxplot(<peak_table>): Make boxplot from peak table.

chromatographR-package chromatographR: chromatographR

cluster_spectra(): Cluster peaks by spectral similarity.

combine_peaks(): Combine peaks in peak table

correct_peaks(): Correct peak positions according to a ptw warping model

correct_rt(): Correct retention time

filter_peaks(): Filter peak lists

filter_peaktable(): Filter peak table

find_noise(): Define noise spectra based on specified threshold

find_peaks(): Find peaks in chromatographic profile

fit_peaks(): Fit chromatographic peaks to an exponential-gaussian hybrid or gaussian profile

get_agilent_threshold(): Calculate purity thresholds

get_noise_variance(): Calculate variance of noise regions

get_peaks(): Get peak list.

get_peaktable(): Convert peak list into an ordered peak table.

get_purity(): Calculate mean peak purity

get_purity_values(): Calculate peak purity values

get_spectral_similarity(): Calculate spectral similarity

load_chroms(): Import chromatograms.

merge_peaks(): Merge split peaks in peak table

mirror_plot(): Make mirror plot from peak table.

normalize_data(): Normalize peak table or chromatograms

pk_tab: Goldenrod peak table

plot(<peak_list>): Plot fitted peak shapes.

plot(<peak_table>): Plot spectrum from peak table

plot(<ptw_list>): Plot PTW alignments

plot_all_spectra(): Plot all spectra for chosen peak.

plot_chroms(): Plot traces from list of chromatograms.

plot_spectrum(): Plot spectrum from peak table

preprocess(): Preprocess time/wavelength data

reshape_chroms(): Reshapes list of chromatograms from wide to long format

reshape_peaktable(): Reshapes peak table from wide to long format

scan_chrom(): Plot spectra by clicking on the chromatogram

trim_peak(): Trim peak

write_peaktable(): Export peak table